SCHEMBL22996563

SCHEMBL22996563

C[C@@H]1Cc2cn3nccc3nc2N1

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.34
NNMT P40261 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30992005 0.68
SCHEMBL30992090 0.66
SCHEMBL279883 0.65 TSHR (0.44) TSHRNNMT
SCHEMBL7922389 0.65 HTR2A (0.40) TSHRNNMT
SCHEMBL8566538 0.63
SCHEMBL2406607 0.62 HTR2B (0.36) TSHR
SCHEMBL30991935 0.62
SCHEMBL968179 0.61 HTR2C (0.42)
Hydrochloric Acid SCHEMBL967326 0.61 HTR2C (0.41)
SCHEMBL30991928 0.61

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021027503-A1 TRICYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND INTERMEDIATE AND USE THEREOF 罗欣药业(上海)有限公司 2021-02-18 WO disclosed